N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide

C21H26N6O2 — CID 78887048

IUPACN-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
SMILESCc1cccc(C)c1NC(=O)CN(C)C(=O)c1cc(-c2c(C)nn(C)c2C)n[nH]1
InChIInChI=1S/C21H26N6O2/c1-12-8-7-9-13(2)20(12)22-18(28)11-26(5)21(29)17-10-16(23-24-17)19-14(3)25-27(6)15(19)4/h7-10H,11H2,1-6H3,(H,22,28)(H,23,24)
InChIKeyDFWMZMICOCVPKF-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.75
Rot. Bonds5

About N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide (PubChem CID 78887048) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
PubChem CID78887048
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
SMILESCc1cccc(C)c1NC(=O)CN(C)C(=O)c1cc(-c2c(C)nn(C)c2C)n[nH]1
InChIInChI=1S/C21H26N6O2/c1-12-8-7-9-13(2)20(12)22-18(28)11-26(5)21(29)17-10-16(23-24-17)19-14(3)25-27(6)15(19)4/h7-10H,11H2,1-6H3,(H,22,28)(H,23,24)
InChIKeyDFWMZMICOCVPKF-UHFFFAOYSA-N
XLogP2.75
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[methyl-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carbonyl]amino]acetic acid
CID 119346629
N-(2,3-dimethylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78879388
N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 119656984
N-[2-(2,6-dimethylphenoxy)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78879203
N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 16672053
N-(1-aminopropan-2-yl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 119585172
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78881182
N-[(4-methylphenyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78880688
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78882620
N-(4-fluoro-2-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78880128
N-(2,6-dimethylphenyl)-2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl-methylamino]acetamide
CID 86993944
N'-[2-(2,5-dimethylphenoxy)acetyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carbohydrazide
CID 78880139

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide (CID 78887048) is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide is Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1cc(-c2c(C)nn(C)c2C)n[nH]1.
What is the InChIKey of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is DFWMZMICOCVPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-12-8-7-9-13(2)20(12)22-18(28)11-26(5)21(29)17-10-16(23-24-17)19-14(3)25-27(6)15(19)4/h7-10H,11H2,1-6H3,(H,22,28)(H,23,24).
What are the key properties of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 78887048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).